TSP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.46Å | |
| P | OP2 | sing | 1.61Å | 1.47Å | |
| P | OP3 | sing | 1.61Å | 1.59Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | S3' | sing | 1.81Å | 1.72Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| S3' | HS3' | sing | 1.34Å | 1.30Å | |
| C2' | C1' | sing | 1.54Å | 1.50Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | O4 | doub | 1.22Å | 1.21Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| C5 | C5M | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5M | H71 | sing | 1.09Å | 1.10Å | |
| C5M | H72 | sing | 1.09Å | 1.10Å | |
| C5M | H73 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 120.0° | 109.5° |
| OP1 | P | OP3 | 109.1° | 109.5° |
| OP1 | P | O5' | 108.8° | 109.5° |
| OP2 | P | OP3 | 109.5° | 109.4° |
| OP2 | P | O5' | 106.0° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP3 | P | O5' | 101.9° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | O5' | C5' | 121.0° | 123.0° |
| O5' | C5' | C4' | 110.8° | 109.5° |
| O5' | C5' | H5' | 109.1° | 109.4° |
| O5' | C5' | H5'' | 109.1° | 109.5° |
| C4' | C5' | H5' | 109.1° | 109.4° |
| C4' | C5' | H5'' | 109.1° | 109.5° |
| C5' | C4' | O4' | 109.0° | 110.6° |
| C5' | C4' | C3' | 112.3° | 110.6° |
| C5' | C4' | H4' | 110.1° | 110.6° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| O4' | C4' | C3' | 104.3° | 103.5° |
| O4' | C4' | H4' | 111.0° | 110.6° |
| C4' | O4' | C1' | 112.1° | 106.9° |
| C3' | C4' | H4' | 110.1° | 110.8° |
| C4' | C3' | S3' | 120.1° | 110.9° |
| C4' | C3' | C2' | 106.4° | 102.1° |
| C4' | C3' | H3' | 106.9° | 110.9° |
| O4' | C1' | C2' | 107.1° | 107.3° |
| O4' | C1' | N1 | 108.8° | 109.8° |
| O4' | C1' | H1' | 112.7° | 109.9° |
| S3' | C3' | C2' | 110.9° | 110.9° |
| S3' | C3' | H3' | 104.9° | 110.8° |
| C3' | S3' | HS3' | 102.0° | 103.0° |
| C2' | C3' | H3' | 106.9° | 111.0° |
| C3' | C2' | C1' | 105.9° | 104.2° |
| C3' | C2' | H2' | 110.4° | 110.5° |
| C3' | C2' | H2'' | 110.3° | 110.5° |
| C1' | C2' | H2' | 110.4° | 110.5° |
| C1' | C2' | H2'' | 110.4° | 110.5° |
| C2' | C1' | N1 | 104.3° | 109.9° |
| C2' | C1' | H1' | 111.6° | 109.9° |
| H2' | C2' | H2'' | 109.5° | 110.5° |
| N1 | C1' | H1' | 111.8° | 110.0° |
| C1' | N1 | C2 | 117.9° | 119.7° |
| C1' | N1 | C6 | 120.9° | 119.6° |
| C2 | N1 | C6 | 121.1° | 120.7° |
| N1 | C2 | O2 | 123.1° | 119.6° |
| N1 | C2 | N3 | 114.8° | 120.9° |
| N1 | C6 | C5 | 123.6° | 119.6° |
| N1 | C6 | H6 | 118.2° | 120.2° |
| O2 | C2 | N3 | 122.1° | 119.5° |
| C2 | N3 | C4 | 127.1° | 120.2° |
| C2 | N3 | HN3 | 116.5° | 119.9° |
| C4 | N3 | HN3 | 116.5° | 119.9° |
| N3 | C4 | O4 | 119.6° | 120.3° |
| N3 | C4 | C5 | 115.5° | 119.4° |
| O4 | C4 | C5 | 124.9° | 120.3° |
| C4 | C5 | C5M | 118.7° | 120.5° |
| C4 | C5 | C6 | 117.8° | 119.1° |
| C5M | C5 | C6 | 123.5° | 120.4° |
| C5 | C5M | H71 | 109.5° | 109.4° |
| C5 | C5M | H72 | 109.5° | 109.5° |
| C5 | C5M | H73 | 109.5° | 109.5° |
| C5 | C6 | H6 | 118.2° | 120.1° |
| H71 | C5M | H72 | 109.5° | 109.5° |
| H71 | C5M | H73 | 109.4° | 109.4° |
| H72 | C5M | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 127.3° | 120.0° |
| OP1 | P | OP2 | O5' | 123.5° | 120.0° |
| OP1 | P | OP3 | O5' | 115.0° | 120.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
| OP1 | P | O5' | C5' | 171.6° | 55.0° |
| OP2 | P | OP3 | O5' | 111.9° | 120.0° |
| OP2 | P | OP3 | HOP3 | 133.1° | 60.0° |
| OP2 | P | O5' | C5' | 58.1° | 175.0° |
| OP3 | P | OP2 | HOP2 | 127.3° | 60.0° |
| OP3 | P | O5' | C5' | 56.4° | 65.0° |
| O5' | P | OP2 | HOP2 | 123.6° | 180.0° |
| O5' | P | OP3 | HOP3 | 115.0° | 60.0° |
| P | O5' | C5' | C4' | 170.5° | 180.0° |
| P | O5' | C5' | H5' | 50.3° | 60.0° |
| P | O5' | C5' | H5'' | 69.3° | 60.0° |
| O5' | C5' | C4' | H5' | 120.2° | 119.9° |
| O5' | C5' | C4' | H5'' | 120.2° | 120.0° |
| O5' | C5' | H5' | H5'' | 119.4° | 120.0° |
| O5' | C5' | C4' | O4' | 87.3° | 66.5° |
| O5' | C5' | C4' | C3' | 27.8° | 179.5° |
| O5' | C5' | C4' | H4' | 150.8° | 56.4° |
| C4' | C5' | H5' | H5'' | 119.4° | 120.0° |
| C5' | C4' | O4' | C3' | 120.1° | 118.5° |
| C5' | C4' | O4' | H4' | 121.4° | 122.8° |
| C5' | C4' | C3' | H4' | 123.0° | 123.0° |
| C5' | C4' | O4' | C1' | 138.7° | 158.6° |
| C5' | C4' | C3' | S3' | 94.7° | 86.3° |
| C5' | C4' | C3' | C2' | 138.3° | 155.5° |
| C5' | C4' | C3' | H3' | 24.4° | 37.2° |
| H5' | C5' | C4' | O4' | 152.5° | 53.5° |
| H5' | C5' | C4' | C3' | 92.4° | 60.5° |
| H5' | C5' | C4' | H4' | 30.6° | 176.4° |
| H5'' | C5' | C4' | O4' | 32.9° | 173.5° |
| H5'' | C5' | C4' | C3' | 148.0° | 59.5° |
| H5'' | C5' | C4' | H4' | 89.0° | 63.6° |
| O4' | C4' | C3' | H4' | 119.1° | 118.5° |
| O4' | C4' | C3' | S3' | 147.4° | 155.2° |
| O4' | C4' | C3' | C2' | 20.4° | 37.1° |
| O4' | C4' | C3' | H3' | 93.5° | 81.3° |
| C4' | O4' | C1' | C2' | 9.0° | 26.6° |
| C4' | O4' | C1' | N1 | 121.3° | 145.9° |
| C4' | O4' | C1' | H1' | 114.1° | 92.9° |
| C3' | C4' | O4' | C1' | 18.5° | 40.1° |
| C4' | C3' | S3' | C2' | 124.8° | 112.7° |
| C4' | C3' | S3' | H3' | 120.1° | 123.6° |
| C4' | C3' | C2' | H3' | 114.0° | 118.3° |
| C4' | C3' | S3' | HS3' | 180.0° | 179.9° |
| C4' | C3' | C2' | C1' | 15.5° | 20.9° |
| C4' | C3' | C2' | H2' | 135.0° | 139.6° |
| C4' | C3' | C2' | H2'' | 103.9° | 97.8° |
| H4' | C4' | O4' | C1' | 100.0° | 78.6° |
| H4' | C4' | C3' | S3' | 28.2° | 36.7° |
| H4' | C4' | C3' | C2' | 98.7° | 81.5° |
| H4' | C4' | C3' | H3' | 147.4° | 160.2° |
| O4' | C1' | C2' | C3' | 4.5° | 2.1° |
| O4' | C1' | C2' | N1 | 115.3° | 119.4° |
| O4' | C1' | C2' | H1' | 123.8° | 119.5° |
| O4' | C1' | C2' | H2' | 124.0° | 116.6° |
| O4' | C1' | C2' | H2'' | 114.9° | 120.8° |
| O4' | C1' | N1 | H1' | 125.2° | 121.1° |
| O4' | C1' | N1 | C2 | 137.0° | 53.6° |
| O4' | C1' | N1 | C6 | 46.5° | 126.8° |
| S3' | C3' | C2' | H3' | 113.8° | 123.6° |
| S3' | C3' | C2' | C1' | 147.8° | 139.1° |
| S3' | C3' | C2' | H2' | 92.8° | 102.2° |
| S3' | C3' | C2' | H2'' | 28.3° | 20.4° |
| C2' | C3' | S3' | HS3' | 55.2° | 67.4° |
| C3' | C2' | C1' | H2' | 119.4° | 118.7° |
| C3' | C2' | C1' | H2'' | 119.4° | 118.7° |
| C3' | C2' | H2' | H2'' | 121.6° | 122.6° |
| C3' | C2' | C1' | N1 | 110.8° | 121.4° |
| C3' | C2' | C1' | H1' | 128.4° | 117.4° |
| H3' | C3' | S3' | HS3' | 59.9° | 56.3° |
| H3' | C3' | C2' | C1' | 98.4° | 97.4° |
| H3' | C3' | C2' | H2' | 21.0° | 21.3° |
| H3' | C3' | C2' | H2'' | 142.1° | 143.9° |
| C1' | C2' | H2' | H2'' | 121.7° | 122.6° |
| C2' | C1' | N1 | H1' | 120.7° | 121.1° |
| C2' | C1' | N1 | C2 | 108.9° | 64.3° |
| C2' | C1' | N1 | C6 | 67.6° | 115.4° |
| H2' | C2' | C1' | N1 | 8.7° | 2.7° |
| H2' | C2' | C1' | H1' | 112.2° | 123.9° |
| H2'' | C2' | C1' | N1 | 129.8° | 119.9° |
| H2'' | C2' | C1' | H1' | 8.9° | 1.3° |
| C1' | N1 | C2 | C6 | 176.5° | 179.7° |
| C1' | N1 | C2 | O2 | 9.4° | 0.0° |
| C1' | N1 | C2 | N3 | 171.5° | 180.0° |
| C1' | N1 | C6 | C5 | 172.6° | 179.7° |
| C1' | N1 | C6 | H6 | 7.3° | 0.0° |
| H1' | C1' | N1 | C2 | 11.8° | 174.7° |
| H1' | C1' | N1 | C6 | 171.7° | 5.7° |
| N1 | C2 | O2 | N3 | 179.0° | 180.0° |
| N1 | C2 | N3 | C4 | 3.1° | 0.0° |
| N1 | C2 | N3 | HN3 | 176.9° | 179.9° |
| C2 | N1 | C6 | C5 | 3.8° | 0.6° |
| C2 | N1 | C6 | H6 | 176.3° | 179.7° |
| C6 | N1 | C2 | O2 | 174.0° | 179.7° |
| C6 | N1 | C2 | N3 | 5.0° | 0.3° |
| N1 | C6 | C5 | C4 | 0.1° | 0.6° |
| N1 | C6 | C5 | C5M | 179.9° | 179.7° |
| N1 | C6 | C5 | H6 | 180.0° | 179.7° |
| O2 | C2 | N3 | C4 | 175.9° | 180.0° |
| O2 | C2 | N3 | HN3 | 4.1° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 179.5° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| N3 | C4 | O4 | C5 | 179.2° | 179.9° |
| N3 | C4 | C5 | C5M | 178.2° | 180.0° |
| N3 | C4 | C5 | C6 | 1.8° | 0.3° |
| HN3 | N3 | C4 | O4 | 0.5° | 0.0° |
| HN3 | N3 | C4 | C5 | 179.8° | 179.9° |
| O4 | C4 | C5 | C5M | 1.0° | 0.0° |
| O4 | C4 | C5 | C6 | 179.0° | 179.7° |
| C4 | C5 | C5M | C6 | 180.0° | 179.7° |
| C4 | C5 | C5M | H71 | 180.0° | 0.0° |
| C4 | C5 | C5M | H72 | 60.0° | 120.0° |
| C4 | C5 | C5M | H73 | 60.0° | 120.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C5 | C5M | H71 | H72 | 120.0° | 120.0° |
| C5 | C5M | H71 | H73 | 120.0° | 120.0° |
| C5 | C5M | H72 | H73 | 120.0° | 120.1° |
| C5M | C5 | C6 | H6 | 0.1° | 0.0° |
| C6 | C5 | C5M | H71 | 0.1° | 179.7° |
| C6 | C5 | C5M | H72 | 120.1° | 59.7° |
| C6 | C5 | C5M | H73 | 119.9° | 60.3° |
| H71 | C5M | H72 | H73 | 120.0° | 120.0° |
